1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid
TL;DR: 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid (CAS 3787-09-5) is a chemical compound with molecular formula C4H4N4O4 and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid
Also Known As: 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid, Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylicacid, NCI60_002616, 1,2-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid, J3.379.157G
| Molecular Formula | C4H4N4O4 |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | -2.0246 |
| Topological Polar Surface Area | 123.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.02325 |
| Heavy Atoms | 12 |
| Complexity | 263.43298 |
Chemical Identifiers
| CAS Number | 3787-09-5 |
|---|---|
| SMILES | C1(=NNC(=NN1)C(=O)O)C(=O)O |
Product Overview
1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid (CAS 3787-09-5), with molecular formula C4H4N4O4 and molecular weight 172.02 g/mol. IUPAC: 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid.
Chemical Property Profile of 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid
Property Insights of 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid
The XLogP value of -2.0246 indicates that 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid. Following Lipinski's Rule of Five, 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid?
The CAS number of 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid is 3787-09-5.
What is the molecular formula of 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid?
The molecular formula of 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid is C4H4N4O4.
What is the molecular weight of 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid?
The molecular weight of 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid is 172.02 g/mol.
Where can I buy 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid?
You can request a quote for 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.